SCHEMBL19689756

SCHEMBL19689756

CCNC(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ IDH2 P48735 4/20 0.39
▸ ACACB O00763 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ UCHL1 P09936 1/20 0.37
▸ KMO O15229 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL19689854 0.99 KMT2A (0.40) KMT2ATSHRIDH2ACACBMEN1
SCHEMBL17768260 0.93 KMT2A (0.40) KMT2ATSHRIDH2MEN1ALDH1A1
SCHEMBL19346987 0.91 CASP6 (0.41) KMT2ATSHRIDH2MEN1ALDH1A1
SCHEMBL19346988 0.91 CASP6 (0.41) KMT2ATSHRIDH2MEN1ALDH1A1
SCHEMBL17778734 0.90 KCNH2 (0.42) KMT2ATSHRIDH2MEN1ALDH1A1
SCHEMBL19689772 0.90 CNR2 (0.43) KMT2ATSHRIDH2MEN1ALDH1A1
SCHEMBL17618775 0.89 TRPV4 (0.45) KMT2ATSHRIDH2CNR2
SCHEMBL19689730 0.89 ITGB2 (0.42) KMT2ATSHRIDH2MEN1ALDH1A1
SCHEMBL19699710 0.89 ITGB2 (0.42) KMT2ATSHRIDH2MEN1ALDH1A1
SCHEMBL17778800 0.89 CSNK1E (0.41) KMT2ATSHRIDH2MEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1922/4885TSHR 2418/4885IDH2 34/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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